REMARK  Name = BDB012998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.504   2.073  -0.786  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        0.794   1.549  -0.668  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.599   1.885   0.427  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.114   2.776   1.393  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.176   3.295   1.286  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.985   2.937   0.207  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.973   1.335   0.599  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        3.197   0.087   0.057  0.00  0.00    -0.252 N 
ATOM      9  H   LIG    1        2.466  -0.456  -0.384  0.00  0.00    +0.158 HD
ATOM     10  O   LIG    1        3.811   1.986   1.222  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.411  -0.543   0.145  0.00  0.00    +0.201 A 
ATOM     12  N   LIG    1        5.520   0.006   0.738  0.00  0.00    -0.326 N 
ATOM     13  H   LIG    1        5.534   0.923   1.166  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1        6.548  -0.893   0.644  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        5.986  -1.977  -0.024  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1        6.780  -3.101  -0.292  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        8.118  -3.092   0.124  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        8.653  -1.989   0.793  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        7.876  -0.858   1.070  0.00  0.00    +0.028 A 
ATOM     20  N   LIG    1        4.663  -1.742  -0.323  0.00  0.00    -0.214 NA
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -1.389   1.670  -1.946  0.00  0.00    +0.182 C 
BRANCH  21  24
ATOM     22  C   LIG    1       -4.182  -0.229  -0.716  0.00  0.00    +0.093 A 
ATOM     23  N   LIG    1       -3.458   0.782  -1.075  0.00  0.00    -0.168 NA
ATOM     24  N   LIG    1       -2.217   0.515  -1.620  0.00  0.00    -0.225 N 
ATOM     25  C   LIG    1       -1.699  -0.763  -1.785  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -0.580  -1.022  -2.221  0.00  0.00    -0.266 OA
ATOM     27  C   LIG    1       -2.590  -1.878  -1.400  0.00  0.00    +0.074 A 
ATOM     28  C   LIG    1       -3.796  -1.645  -0.882  0.00  0.00    +0.035 A 
BRANCH  22  31
ATOM     29  C   LIG    1       -4.897  -1.023   2.122  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -5.861  -0.364   1.179  0.00  0.00    -0.038 A 
ATOM     31  C   LIG    1       -5.512   0.012  -0.126  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1       -6.454   0.665  -0.913  0.00  0.00    +0.121 A 
ATOM     33  N   LIG    1       -7.721   0.921  -0.513  0.00  0.00    -0.263 NA
ATOM     34  C   LIG    1       -8.051   0.524   0.734  0.00  0.00    +0.111 A 
ATOM     35  C   LIG    1       -7.172  -0.111   1.601  0.00  0.00    +0.023 A 
ENDBRANCH  22  31
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 5